BioLiP

PDB

BioLiP

PDB CCD ID:

555

Number of entries in BioLiP:

Chemical formula:

C17 H13 N O2

InChI:

InChI=1S/C17H13NO2/c19-14-8-5-12(6-9-14)16-10-7-13(11-18-20)15-3-1-2-4-17(15)16/h1-11,19-20H/b18-11+

InChIKey:

VYQQTWUZKPWPRL-WOJGMQOQSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O/N=C/c1ccc(c2ccc(O)cc2)c3ccccc13
CACTVS 3.341	ON=Cc1ccc(c2ccc(O)cc2)c3ccccc13
ACDLabs 10.04	Oc3ccc(c1ccc(\C=N\O)c2c1cccc2)cc3
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(ccc2c3ccc(cc3)O)\C=N\O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(ccc2c3ccc(cc3)O)C=NO

Name:

4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME

ChEMBL:

CHEMBL395308

DrugBank:

DB07150

ZINC:

ZINC000016052260

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).